SCHEMBL2357589

SCHEMBL2357589

CCCC(CC(=O)OCC)n1c(=O)n(Cc2cn(C)c3cccc(C)c23)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 19/20 0.62
CTSG P08311 1/20 0.56
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2315118 1.00 CMA1 (0.62) CMA1CTSGMEN1KMT2A
SCHEMBL2313564 0.93 CMA1 (0.60) CMA1CTSG
SCHEMBL2312683 0.92 CMA1 (0.58) CMA1CTSG
SCHEMBL2313573 0.92 CMA1 (0.58) CMA1CTSG
SCHEMBL2811668 0.91 CMA1 (0.56) CMA1CTSG
SCHEMBL2313766 0.91 CMA1 (0.56) CMA1CTSG
SCHEMBL13129776 0.90 CMA1 (0.51) CMA1CTSGMEN1KMT2A
SCHEMBL2309639 0.90 CMA1 (0.75) CMA1CTSG
SCHEMBL2314595 0.90 CMA1 (0.75) CMA1CTSG
SCHEMBL2309191 0.90 CMA1 (0.75) CMA1CTSG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152674-B1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-03 EP disclosed